N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide

C13H13N3O2 — CID 7658730

IUPACN-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2ccccc2)N1C
InChIInChI=1S/C13H13N3O2/c1-9(17)14-13-15-12(18)11(16(13)2)8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,17,18)/b11-8-
InChIKeyNYVHUPMCGCPLIN-FLIBITNWSA-N
MW243.27 g/mol
LogP0.99
Rot. Bonds1

About N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide

N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide (PubChem CID 7658730) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide
PubChem CID7658730
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2ccccc2)N1C
InChIInChI=1S/C13H13N3O2/c1-9(17)14-13-15-12(18)11(16(13)2)8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,17,18)/b11-8-
InChIKeyNYVHUPMCGCPLIN-FLIBITNWSA-N
XLogP0.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide?
The IUPAC name of N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide (CID 7658730) is N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide.
What is the SMILES notation for N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide?
The canonical SMILES for N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C/c2ccccc2)N1C.
What is the InChIKey of N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide?
The InChIKey is NYVHUPMCGCPLIN-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(17)14-13-15-12(18)11(16(13)2)8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15,17,18)/b11-8-.
What are the key properties of N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide?
N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-benzylidene-1-methyl-4-oxoimidazol-2-yl]acetamide is sourced from PubChem (CID 7658730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).